4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol

C20H26O2 — CID 23775738

IUPAC4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol
SMILESC=C(C)C1=CCOC1CC/C(=C/c1ccc(O)cc1)CCC
InChIInChI=1S/C20H26O2/c1-4-5-16(14-17-6-9-18(21)10-7-17)8-11-20-19(15(2)3)12-13-22-20/h6-7,9-10,12,14,20-21H,2,4-5,8,11,13H2,1,3H3/b16-14+
InChIKeyRKQQAJKGCVDJHM-JQIJEIRASA-N
MW298.43 g/mol
LogP5.26
Rot. Bonds7

About 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol

4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol (PubChem CID 23775738) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol
PubChem CID23775738
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol
SMILESC=C(C)C1=CCOC1CC/C(=C/c1ccc(O)cc1)CCC
InChIInChI=1S/C20H26O2/c1-4-5-16(14-17-6-9-18(21)10-7-17)8-11-20-19(15(2)3)12-13-22-20/h6-7,9-10,12,14,20-21H,2,4-5,8,11,13H2,1,3H3/b16-14+
InChIKeyRKQQAJKGCVDJHM-JQIJEIRASA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol?
The IUPAC name of 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol (CID 23775738) is 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol is C=C(C)C1=CCOC1CC/C(=C/c1ccc(O)cc1)CCC.
What is the InChIKey of 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol?
The InChIKey is RKQQAJKGCVDJHM-JQIJEIRASA-N. The full InChI is InChI=1S/C20H26O2/c1-4-5-16(14-17-6-9-18(21)10-7-17)8-11-20-19(15(2)3)12-13-22-20/h6-7,9-10,12,14,20-21H,2,4-5,8,11,13H2,1,3H3/b16-14+.
What are the key properties of 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol?
4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(3-prop-1-en-2-yl-2,5-dihydrofuran-2-yl)ethyl]pent-1-enyl]phenol is sourced from PubChem (CID 23775738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).